Vitas-M small molecule compound
methyl 4-[({4-[(2-fluorophenyl)carbamoyl]-5-methyl-1H-1,2,3-triazol-1-yl}acetyl)amino]benzoate
Catalog ID
STL129737
SMILES COC(=O)c1ccc(cc1)NC(=O)Cn1nnc(c1C)C(=O)Nc1ccccc1F
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H18FN5O4 MW 411.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18FN5O4/c1-12-18(19(28)23-16-6-4-3-5-15(16)21)24-25-26(12)11-17(27)22-14-9-7-13(8-10-14)20(29)30-2/h3-10H,11H2,1-2H3,(H,22,27)(H,23,28)InChIKey
ZLGLUYZHHHWZIN-UHFFFAOYSA-NSynonyms
CC1=C(N=NN1CC(=O)NC2=CC=C(C=C2)C(=O)OC)C(=O)NC3=CC=CC=C3F
InChI=1SC20H18FN5O4c11218(19(28)2316643515(16)21)242526(12)1117(27)22149713(81014)20(29)302h310H11H212H3(H2227)(H2328)
methyl4(((4((2fluorophenyl)carbamoyl)5methyl1H123triazol1yl)acetyl)amino)benzoate
methyl4((2(4((2fluorophenyl)carbamoyl)5methyltriazol1yl)acetyl)amino)benzoate
MFCD20747691
ZINC000067322794
ZINC67322794
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